BIM-0038706.P001
TL;DR: BIM-0038706.P001 (CAS 330951-71-8) is a chemical compound with molecular formula C19H12BrFN2O5S and molecular weight 477.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-bromo-4-[(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: BIM-0038706.P001, (2-bromo-4-{(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid, (E)-2-(2-bromo-4-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid, 2-(2-BROMO-4-{[(5E)-1-(4-FLUOROPHENYL)-4,6-DIOXO-2-SULFANYLIDENE-1,3-DIAZINAN-5-YLIDENE]METHYL}PHENOXY)ACETIC ACID, 2-[2-bromo-4-[(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
| Molecular Formula | C19H12BrFN2O5S |
|---|---|
| Molecular Weight | 477.96 g/mol |
| LogP | 2.8829 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.96344 |
| Heavy Atoms | 29 |
| Complexity | 1055.0651 |
Chemical Identifiers
| CAS Number | 330951-71-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)O)Br)/C(=O)NC2=S)F |
Product Overview
BIM-0038706.P001 (CAS 330951-71-8), with molecular formula C19H12BrFN2O5S and molecular weight 477.96 g/mol. IUPAC: 2-[2-bromo-4-[(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of BIM-0038706.P001
Property Insights of BIM-0038706.P001
The XLogP value of 2.8829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0038706.P001. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0038706.P001. Following Lipinski's Rule of Five, BIM-0038706.P001 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0038706.P001?
The CAS number of BIM-0038706.P001 is 330951-71-8.
What is the molecular formula of BIM-0038706.P001?
The molecular formula of BIM-0038706.P001 is C19H12BrFN2O5S.
What is the molecular weight of BIM-0038706.P001?
The molecular weight of BIM-0038706.P001 is 477.96 g/mol.
Where can I buy BIM-0038706.P001?
You can request a quote for BIM-0038706.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0038706.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0038706.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.